3- (2,5-Dichlorophenyl) -1H-pyrazole

CAT: 0127-OR39-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR39-01Size:100 mg

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CAS Number

59843-71-9

Synonyms

1,4-Dichloro-2- (1H-pyrazol-3-yl) benzene

MDL Number

MFCD02091525

Purity

=95%

Smiles

Clc1ccc(Cl)c(c1)c2cc[nH]n2

Chemical Information

3-(2,5-dichlorophenyl)-1H-pyrazole

CAS Number	59843-71-9
PubChem CID	2736074
IUPAC Name	5-(2,5-dichlorophenyl)-1H-pyrazole
Molecular Formula	C9H6Cl2N2
Molecular Weight	213.06
XLogP	3.1
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	177

SMILES

C1=CC(=C(C=C1Cl)C2=CC=NN2)Cl

InChI

InChI=1S/C9H6Cl2N2/c10-6-1-2-8(11)7(5-6)9-3-4-12-13-9/h1-5H,(H,12,13)

InChIKey

HMOQLQHUOBDQKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59843-71-9

CID: 2736074

Formula: C9H6Cl2N2

MW: 213.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.06
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	211.9908036
Monoisotopic Mass	211.9908036
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR0366-01	3- (2,4-Dichlorophenyl) -1H-pyrazole
OR1068782-01	5- (2,5-Dichlorophenyl) -1H-pyrazole-3-carboxylic acid
OR1052742	5- (2,4-Dichlorophenyl) -1H-pyrazole-3-carboxylic acid
OR38-01	3- (3,4-Dichlorophenyl) -1H-pyrazole
OR81046-01	Ethyl 5- (3,4-dichlorophenyl) -1H-pyrazole-3-carboxylate
OR1039982-01	5- (3,4-Dichlorophenyl) -1H-pyrazole-3-carboxylic acid
OR310536-01	Ethyl 5- (3,5-dichlorophenyl) -1-methyl-1H-pyrazole-3-carboxylate
OR23684-01	1- (3,5-dichlorophenyl) -1H-pyrrole
OR29530-01	1- (3,5-Dichlorophenyl) -5-propyl-1H-pyrazole-4-carboxylic acid
OR111086-01	Ethyl 1- (3,5-dichlorophenyl) -3,5-dimethyl-1H-pyrazole-4-carboxylate

Catalog	Name
GRB79472-01	5- (2,4-Dichlorophenyl) -1H-pyrazole-4-carbaldehyde
JCA84371-01	3- (2,5-Dichlorophenyl) pyrazole
TMA25616-01	Methyl 1- (2,5-dichlorophenyl) -5- (3,4-dichlorophenyl) -1H-pyrazole-3-carboxylate
434337-01	5- (2,4-Dichlorophenyl) -1h-pyrazole-3-carboxylic acid
sc-337744	Ethyl 3- (2,4-dichlorophenyl) -1H-pyrazole-5-carboxylate
ICA79179-01	5-Amino-1- (2,4-dichlorophenyl) -1H-pyrazole-4-carbonitrile
HNB12540-01	1- (3,4-Dichlorophenyl) -1H-pyrazole
TMA25623-01	Methyl 5- (3,4-dichlorophenyl) -1- (3,5-dichlorophenyl) -1H-pyrazole-3-carboxylate
430525-01	4-Bromo-1- (2,6-dichlorophenyl) -1H-pyrazole
sc-277873	5- (2,5-Dichlorophenyl) -1H-tetrazole